Basic information
- CAS
64289-13-0- Standard SMILES
CN1N=C(c2nc3ccccc3s2)CC1=O- InChIKey
FOOJGUGBZJCVKT-UHFFFAOYSA-N- Molecular formula
- C11H9N3OS
- Average molar mass
- 231.28 g/mol
- Monoisotopic mass
- 231.04663309
Names & identifiers
- Preferred name
- 5-(1,3-Benzothiazol-2-yl)-2-methyl-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-(1,3-benzothiazol-2-yl)-2-methyl-4H-pyrazol-3-one
Names & synonyms
64289-13-03-(Benzo[d]thiazol-2-yl)-1-methyl-1H-pyrazol-5(4H)-oneDTXSID104949765-(1,3-Benzothiazol-2-yl)-2-methyl-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
64289-13-0- PubChem CID
- 12373928
- DTXSID
DTXSID10494976
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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